tert-butyl 5-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxypentanoate

Systemtic Name: tert-butyl 5-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxypentanoate Openeye Name: tert-butyl 5-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxypentanoate CAS Name: 5-[[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxypentanoate Traditional Name: 5-[(1S,5R)-5-heptyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyvaleric acid tert-butyl ester Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(=CC1=O)C#CCCCCCC)OCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC[C@@H]1[C@@H](C(=CC1=O)C#CCCCCCC)OCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C29H48O4/c1-6-8-10-12-14-15-19-24-23-26(30)25(20-16-13-11-9-7-2)28(24)32-22-18-17-21-27(31)33-29(3,4)5/h23,25,28H,6-14,16-18,20-22H2,1-5H3/t25-,28+/m0/s1